Information card for entry 4345519

Structure parameters

• Formula: C29 H21 Cl4 N3 Pd
• Calculated formula: C29 H21 Cl4 N3 Pd
• SMILES: [Pd]12(N(c3cc(cc4c5c(c[n]1c34)cccc5)C)c1c3[n]2cc2c(c3cc(c1)C)cccc2)Cl.ClC(Cl)Cl
• Title of publication: Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.
• Authors of publication: Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3674 - 3685
• a: 7.1119 ± 0.0011 Å
• b: 13.3648 ± 0.0019 Å
• c: 14.027 ± 0.002 Å
• α: 102.035 ± 0.002°
• β: 100.482 ± 0.002°
• γ: 97.08 ± 0.002°
• Cell volume: 1264.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No